Materials Data on AgH2C2N3O by Materials Project

Abstract

AgC2N3H2O crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two AgC2N3H2O sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 4-coordinate geometry to three N3- and one O2- atom. There are a spread of Ag–N bond distances ranging from 2.14–2.78 Å. The Ag–O bond length is 2.61 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.34 Å) and one longer (1.39 Å) C–N bond length. The C–O bond length is 1.27 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.30 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Ag1+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to one Ag1+ and two C4+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. O2- is bonded in a single-bond geometry to one Ag1+ and one C4+ atom.